Chemical ID: 7221439

Cc1c(c(n(n1)C(C)c2nc3c4ccccc4ncn3n2)C)[N+](=O)[O-]
Chemical ID:
7221439
Name [?]:
None
SMILES [?]:
Cc1c(c(n(n1)C(C)c2nc3c4ccccc4ncn3n2)C)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H15N7O2/c1-9-14(23(24)25)10(2)22(19-9)11(3)15-18-16-12-6-4-5-7-13(12)17-8-21(16)20-15/h4-8,11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,8,14,15,13,16,19,2,4,7,12,17,3,9,11,18,10,6,21,20,5,23,24,25/E:(24,25)/CRV:23.5/rA:25cCCCCNNCCCNCCCCCCCNCNNCN+OO-/rB:s1;s2;d3;s4;d2s5;s5;s7;s7;s9;d10;s11;s12;d13;s14;d15;d12s16;s17;d18;s11s19;d9s20;s4;s3;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N7O2
All Atoms:40
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:6.23785
Area:534.582
Solvation:-7.12669
Coulombic:-35.6467
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:337.336
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.57
LogP (Chemaxon):3.14

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Descriptor Annotations

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